Common name
formamide
IUPAC name
formamide
SMILES
C(=O)N
Common name
formamide
IUPAC name
formamide
SMILES
C(=O)N
INCHI
InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)
FORMULA
CH3NO
Common name
formamide
IUPAC name
formamide
Molecular weight
45.041
clogP
-0.474
clogS
0.761
Frequency
0.1240
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
43.09
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00484 | Imatinib |
|
Antineoplastic Agents; Immunosuppressive Agents; Protein Kinase Inhibitors; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment of Philadelphia chromosome positive chronic myeloid leukemia (Ph+ CML), Ph+ acute lymphoblastic leukaemia, myelodysplastic/myeloproliferative diseases, aggressive systemic mastocytosis, hypereosinophilic syndrome and/or chronic eosinophilic leukemia (CEL), dermatofibrosarcoma protuberans, and malignant gastrointestinal stromal tumors (GIST). |
| FDBD00491 | Bacitracin |
|
For the treatment of infants with pneumonia and empyema caused by staphylococci shown to be susceptible to the drug. Also used in ointment form for topical treatment of a variety of localized skin and eye infections, as well as for the prevention of wound infections. Used against gram positive bacteria. Bacitracin is also used as an inhibitor of proteases and other enzymes. | |
| FDBD00507 | Pemetrexed |
|
Antineoplastic Agents; Immunosuppressive Agents; Enzyme Inhibitors; Antimetabolites; Folic Acid Antagonists; Nucleic Acid Synthesis Inhibitors; Antineoplastic and Immunomodulating Agents; Folic Acid Analogues; | Used in combination with cisplatin for the treatment of malignant pleural mesothelioma in adults whose disease is unresectable or who otherwise are not candidates for potentially curative surgery. Also used as a monotherapy for the treatment of locally advanced or metastatic non-small cell lung cancer (NSCLC) after prior chemotherapy. |
| FDBD00509 | Gonadorelin |
|
Diagnostic Agents; Pituitary and Hypothalamic Hormones and Analogues; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Hypothalamic Hormones; Gonadotropin-Releasing Hormones; Tests for Fertility Disturbances; | For evaluating the functional capacity and response of the gonadotropes of the anterior pituitary also for evaluating residual gonadotropic function of the pituitary following removal of a pituitary tumor by surgery and/or irradiation. |
| FDBD00515 | Leucovorin |
|
Vitamin B Complex; Vitamins; Antidotes; Anti-anemic Agents; Antineoplastics, Adjuncts; | For the treatment of osteosarcoma (after high dose methotrexate therapy). Used to diminish the toxicity and counteract the effects of impaired methotrexate elimination and of inadvertent overdosages of folic acid antagonists, and to treat megaloblastic anemias due to folic acid deficiency. Also used in combination with 5-fluorouracil to prolong survival in the palliative treatment of patients with advanced colorectal cancer. |
| FDBD00527 | Trimethobenzamide |
|
Antiemetics; Respiratory System; Aminoalkyl Ethers; Antihistamines for Systemic Use; | For the treatment of postoperative nausea and vomiting and for nausea associated with gastroenteritis. |
| FDBD00531 | Nafarelin |
|
Fertility Agents, Female; Antiendometriotic agent; Gonadotropin-releasing hormone agonist; Pituitary and Hypothalamic Hormones and Analogues; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Hypothalamic Hormones; Gonadotropin-Releasing Hormones; | For treatment of central precocious puberty (true precocious puberty, GnRH-dependent precocious precocity, complete isosexual precocity) in children of both sexes and for the treatment of endometriosis. |
| FDBD00554 | Cephaloglycin |
|
Anti-Bacterial Agents; Cephalosporins; | For treatment of severe infections caused by susceptible bacteria. |
| FDBD00561 | Ergotamine |
|
For use as therapy to abort or prevent vascular headache, e.g., migraine, migraine variants, or so called ; | |
| FDBD00572 | Sufentanil |
|
Anesthetics, Intravenous; Analgesics, Opioid; Narcotics; Adjuvants, Anesthesia; Anesthetics; Nervous System; Anesthetics, General; Opioid Anesthetics; CYP3A4 Inhibitors; | Used as an analgesic adjunct in anesthesia and as a primary anesthetic drug in procedures requiring assisted ventilation and in the relief of pain. |
361 ,
37
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vl1_ligand_frag_1.mol2 | 2vl1 | 1 | -5.59 | C(=O)N | 3 |
| 1wdn_ligand_frag_3.mol2 | 1wdn | 1 | -5.56 | C(=O)N | 3 |
| 1db5_ligand_frag_4.mol2 | 1db5 | 1 | -5.51 | C(=O)N | 3 |
| 2ntf_ligand_frag_10.mol2 | 2ntf | 1 | -5.51 | C(=O)N | 3 |
| 4pml_ligand_frag_1.mol2 | 4pml | 1 | -5.51 | C(=O)N | 3 |
| 4xmb_ligand_frag_8.mol2 | 4xmb | 1 | -5.51 | C(=O)N | 3 |
| 4tjy_ligand_frag_1.mol2 | 4tjy | 1 | -5.50 | C(=O)N | 3 |
| 4f1q_ligand_frag_4.mol2 | 4f1q | 1 | -5.49 | C(=O)N | 3 |
4319 ,
432
